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CAS 51677-09-9 5-PHENYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 51677-09-9

5-PHENYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260402 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20251007 5g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-158626
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51677-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

51677-09-9 / methyl 5-phenyl-1,2-oxazole-3-carboxylate

Standard CAS: 51677-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51677-09-9
Multi CAS
Yes
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
XMPLCJOQBDGMKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.28
TPSA
52.33

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2.8
Consensus LogP
2.27
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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